MMsINC Database Search


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MMsINC code: MMs03262820

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(C)c1ccccc1CC(=O)NCCCCCC

InChI:

InChI=1/C15H23NO2/c1-3-4-5-8-11-16-15(17)12-13-9-6-7-10-14(13)18-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5879 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -3.7175	SlogP: 2.93417	Reactive groups: 0

Topological Properties
Globularity: 0.038284	Sterimol/B1: 2.98162	Sterimol/B2: 3.41643	Sterimol/B3: 4.65288
Sterimol/B4: 4.94828	Sterimol/L: 18.2233

Surface and Volume Properties
Accessible surface: 552.503	Positive charged surface: 423.831	Negative charged surface: 128.672	Volume: 272.75
Hydrophobic surface: 485.394	Hydrophilic surface: 67.109

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.